⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28061338 | 0.90 | TSHR (0.32) | — | |
| Propanol SCHEMBL27402204 | 0.85 | — | — | |
| Propanol SCHEMBL27614566 | 0.85 | — | — | |
| Propanol SCHEMBL27910521 | 0.85 | — | — | |
| Propanol SCHEMBL27347332 | 0.84 | — | — | |
| Propanol SCHEMBL27489877 | 0.82 | — | — | |
| Propanol SCHEMBL27389455 | 0.82 | — | — | |
| Propanol SCHEMBL27642018 | 0.81 | — | — | |
| Propanol SCHEMBL27351103 | 0.81 | — | — | |
| SCHEMBL27915020 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107848077-A | The composition of metal-particle-containing | 古河电气工业株式会社 | 2018-03-27 | — | — | CN | disclosed |
| CN-106859585-A | A kind of medical fibre Sigmoidoscope and preparation method thereof | 南昌青囊中医药有限责任公司 | 2017-06-20 | — | — | CN | disclosed |